5H0H
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![BU of 5h0h by Molmil](/molmil-images/mine/5h0h) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide | 分子名称: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
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5H0E
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![BU of 5h0e by Molmil](/molmil-images/mine/5h0e) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide | 分子名称: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
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5H0G
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![BU of 5h0g by Molmil](/molmil-images/mine/5h0g) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide | 分子名称: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide, Tyrosine-protein kinase HCK | 著者 | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-10-04 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
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1AHI
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![BU of 1ahi by Molmil](/molmil-images/mine/1ahi) | 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, GLYCOCHENODEOXYCHOLIC ACID | 著者 | Tanaka, N, Nonaka, T, Mitsui, Y. | 登録日 | 1995-08-25 | 公開日 | 1996-10-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli. Biochemistry, 35, 1996
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1SN7
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![BU of 1sn7 by Molmil](/molmil-images/mine/1sn7) | KUMAMOLISIN-AS, APOENZYME | 分子名称: | CALCIUM ION, kumamolisin-As | 著者 | Wlodawer, A, Li, M, Gustchina, A, Oda, K, Nishino, T. | 登録日 | 2004-03-10 | 公開日 | 2004-06-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallographic and biochemical investigations of kumamolisin-as, a serine-carboxyl peptidase with collagenase activity. J.Biol.Chem., 279, 2004
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3A4P
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![BU of 3a4p by Molmil](/molmil-images/mine/3a4p) | human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor | 分子名称: | (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ... | 著者 | Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T. | 登録日 | 2009-07-13 | 公開日 | 2010-02-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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8GU3
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![BU of 8gu3 by Molmil](/molmil-images/mine/8gu3) | |
6VVT
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![BU of 6vvt by Molmil](/molmil-images/mine/6vvt) | Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and antibiotic Sorangicin | 分子名称: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | 著者 | Lilic, M, Darst, S.A, Campbell, E.A. | 登録日 | 2020-02-18 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.901 Å) | 主引用文献 | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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7C3G
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![BU of 7c3g by Molmil](/molmil-images/mine/7c3g) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | 登録日 | 2020-05-12 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
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6ADV
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![BU of 6adv by Molmil](/molmil-images/mine/6adv) | Crystal Structure Analysis of the duplex containing the S2T(2',4'-BNA/LNA)G mismatch pairs | 分子名称: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(9V9)P*GP*CP*G)-3' | 著者 | Aoyama, H.A, Habuchi, T.H, Yamaguchi, T.Y, Obika, S.O. | 登録日 | 2018-08-02 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Hybridization and Mismatch Discrimination Abilities of 2',4'-Bridged Nucleic Acids Bearing 2-Thiothymine or 2-Selenothymine Nucleobase. J. Org. Chem., 84, 2019
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1F2R
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![BU of 1f2r by Molmil](/molmil-images/mine/1f2r) | NMR STRUCTURE OF THE HETERODIMERIC COMPLEX BETWEEN CAD DOMAINS OF CAD AND ICAD | 分子名称: | CASPASE-ACTIVATED DNASE, INHIBITOR OF CASPASE-ACTIVATED DNASE | 著者 | Otomo, T, Sakahira, H, Uegaki, K, Nagata, S, Yamazaki, T. | 登録日 | 2000-05-29 | 公開日 | 2000-06-08 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the heterodimeric complex between CAD domains of CAD and ICAD. Nat.Struct.Biol., 7, 2000
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7W8V
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![BU of 7w8v by Molmil](/molmil-images/mine/7w8v) | DMSPP- and Trp-bound 6-dimethylallyl tryptophan synthase, IptA | 分子名称: | 6-dimethylallyltryptophan synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, SULFATE ION, ... | 著者 | Suemune, H, Nagano, S, Tomoya, H. | 登録日 | 2021-12-08 | 公開日 | 2022-10-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Crystal structures of a 6-dimethylallyltryptophan synthase, IptA: Insights into substrate tolerance and enhancement of prenyltransferase activity. Biochem.Biophys.Res.Commun., 593, 2022
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7W8X
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![BU of 7w8x by Molmil](/molmil-images/mine/7w8x) | DMSPP- and 6-Me-Trp-bound dimethylallyl tryptophan synthase, IptA | 分子名称: | (2S)-2-azanyl-3-(6-methyl-1H-indol-3-yl)propanoic acid, 6-dimethylallyltryptophan synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | 著者 | Suemune, H, Nagano, S, Tomoya, H. | 登録日 | 2021-12-08 | 公開日 | 2022-10-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structures of a 6-dimethylallyltryptophan synthase, IptA: Insights into substrate tolerance and enhancement of prenyltransferase activity. Biochem.Biophys.Res.Commun., 593, 2022
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7W8W
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![BU of 7w8w by Molmil](/molmil-images/mine/7w8w) | DMSPP- and 5-Me-Trp-bound 6-dimethylallyl tryptophan synthase, IptA | 分子名称: | 5-methyl-L-tryptophan, 6-dimethylallyltryptophan synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | 著者 | Suemune, H, Nagano, S, Tomoya, H. | 登録日 | 2021-12-08 | 公開日 | 2022-10-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structures of a 6-dimethylallyltryptophan synthase, IptA: Insights into substrate tolerance and enhancement of prenyltransferase activity. Biochem.Biophys.Res.Commun., 593, 2022
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6IZY
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![BU of 6izy by Molmil](/molmil-images/mine/6izy) | |
3A6F
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![BU of 3a6f by Molmil](/molmil-images/mine/3a6f) | W174F mutant creatininase, Type II | 分子名称: | CACODYLATE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | 登録日 | 2009-08-31 | 公開日 | 2010-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6K
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![BU of 3a6k by Molmil](/molmil-images/mine/3a6k) | The E122Q mutant creatininase, Mn-Zn type | 分子名称: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | 登録日 | 2009-09-02 | 公開日 | 2010-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6H
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![BU of 3a6h by Molmil](/molmil-images/mine/3a6h) | W154A mutant creatininase | 分子名称: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | 登録日 | 2009-08-31 | 公開日 | 2010-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6L
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![BU of 3a6l by Molmil](/molmil-images/mine/3a6l) | E122Q mutant creatininase, Zn-Zn type | 分子名称: | CHLORIDE ION, Creatinine amidohydrolase, ZINC ION | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | 登録日 | 2009-09-02 | 公開日 | 2010-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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6IZX
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![BU of 6izx by Molmil](/molmil-images/mine/6izx) | The RNA-dependent RNA polymerase domain of dengue 2 NS5, bound with RK-0404678 | 分子名称: | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate, COBALT (II) ION, Genome polyprotein, ... | 著者 | Shimizu, H, Sekine, S. | 登録日 | 2018-12-20 | 公開日 | 2019-12-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase. Plos Negl Trop Dis, 13, 2019
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3A6G
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![BU of 3a6g by Molmil](/molmil-images/mine/3a6g) | W154F mutant creatininase | 分子名称: | Creatinine amidohydrolase, MANGANESE (II) ION, ZINC ION | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | 登録日 | 2009-08-31 | 公開日 | 2010-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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3A6E
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![BU of 3a6e by Molmil](/molmil-images/mine/3a6e) | W174F mutant creatininase, type I | 分子名称: | CACODYLATE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | 登録日 | 2009-08-31 | 公開日 | 2010-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase J.Mol.Biol., 396, 2010
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7XUD
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![BU of 7xud by Molmil](/molmil-images/mine/7xud) | Structure of G9a in complex with compound 26a | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | 登録日 | 2022-05-18 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUA
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![BU of 7xua by Molmil](/molmil-images/mine/7xua) | Structure of G9a in complex with compound 10a | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | 登録日 | 2022-05-18 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUC
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![BU of 7xuc by Molmil](/molmil-images/mine/7xuc) | Structure of G9a in complex with compound 11a | 分子名称: | 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | 登録日 | 2022-05-18 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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